2-[3-(trifluoromethyl)phenyl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[3-(trifluoromethyl)phenyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[3-(trifluoromethyl)phenyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[3-(trifluoromethyl)phenyl]ethyl ester IUPAC Name: 2-[3-(trifluoromethyl)phenyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[3-(trifluoromethyl)phenyl]ethyl ester Formula: C16H15F3O3S MolecularWeight: 344.34871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H15F3O3S/c1-12-5-7-15(8-6-12)23(20,21)22-10-9-13-3-2-4-14(11-13)16(17,18)19/h2-8,11H,9-10H2,1H3